Chemical Properties of 10-Undecenoic acid, butyl ester (CAS 109-42-2)

InChI

InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3

InChI Key

GRAORJFMGCQWRN-UHFFFAOYSA-N

Formula

C15H28O2

SMILES

C=CCCCCCCCCC(=O)OCCCC

Molecular Weight¹

240.38

CAS

109-42-2

Other Names

• Butyl 10-undecenoate
• Butyl 10-undecylenate
• Butyl undecylenate
• butyl undec-10-enoate
• n-Butyl 10-undecenoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7524		Relay (1.0) Calculated Property
ΔfG°	-147.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-568.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.70	kJ/mol	Joback Calculated Property
ΔvapH°	76.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	4.636		Crippen Calculated Property
McVol	225.350	ml/mol	McGowan Calculated Property
Pc	1466.85	kPa	Joback Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
I	[1954.00; 1972.00]
I	1972.00		NIST
I	1972.00		NIST
I	1954.00		NIST
I	1954.00		NIST
Tboil	559.51	K	Relay (1.0) Calculated Property
Tc	731.36	K	Relay (1.0) Calculated Property
Tfus	243.30	K	Relay (1.0) Calculated Property
Vc	0.849	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.22; 772.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.16710e+01
Coefficient B			1.35402e+00
Coefficient C			-7.20500e-04
Coefficient D			1.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.22	J/mol×K	273.00	Calculated Property
Cp,gas	406.17	J/mol×K	353.78	Calculated Property
Cp,gas	474.48	J/mol×K	434.56	Calculated Property
Cp,gas	535.56	J/mol×K	515.33	Calculated Property
Cp,gas	589.82	J/mol×K	596.11	Calculated Property
Cp,gas	637.65	J/mol×K	676.89	Calculated Property
Cp,gas	679.46	J/mol×K	757.67	Calculated Property
Cp,gas	715.65	J/mol×K	838.44	Calculated Property
Cp,gas	746.62	J/mol×K	919.22	Calculated Property
Cp,gas	772.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039425; 0.0001933]	Pa×s	[299.38; 535.45]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.23747e+01
Coefficient B			2.04740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			299.38
Temperature range, max.			535.45
η	0.0039425	Pa×s	299.38	Calculated Property
η	0.0022726	Pa×s	325.61	Calculated Property
η	0.0014221	Pa×s	351.84	Calculated Property
η	0.0009497	Pa×s	378.07	Calculated Property
η	0.0006684	Pa×s	404.30	Calculated Property
η	0.0004909	Pa×s	430.53	Calculated Property
η	0.0003736	Pa×s	456.76	Calculated Property
η	0.0002929	Pa×s	482.99	Calculated Property
η	0.0002354	Pa×s	509.22	Calculated Property
η	0.0001933	Pa×s	535.45	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[417.66; 603.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40739e+01
Coefficient B			-4.47262e+03
Coefficient C			-9.32380e+01
Temperature range, min.			417.66
Temperature range, max.			603.67
Pvap	1.33	kPa	417.66	Calculated Property
Pvap	3.04	kPa	438.33	Calculated Property
Pvap	6.33	kPa	459.00	Calculated Property
Pvap	12.18	kPa	479.66	Calculated Property
Pvap	21.91	kPa	500.33	Calculated Property
Pvap	37.26	kPa	521.00	Calculated Property
Pvap	60.33	kPa	541.67	Calculated Property
Pvap	93.63	kPa	562.33	Calculated Property
Pvap	140.00	kPa	583.00	Calculated Property
Pvap	202.64	kPa	603.67	Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenoic acid, butyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.